| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2262086
Max Phase: Preclinical
Molecular Formula: C8H17NO
Molecular Weight: 143.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(O)N1CCCCC1C
Standard InChI: InChI=1S/C8H17NO/c1-7-5-3-4-6-9(7)8(2)10/h7-8,10H,3-6H2,1-2H3
Standard InChI Key: FSTRZBKYZQFYAQ-UHFFFAOYSA-N
Associated Targets(non-human)
Acanthocheilonema viteae 418 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 143.23 | Molecular Weight (Monoisotopic): 143.1310 | AlogP: 1.20 | #Rotatable Bonds: 1 |
| Polar Surface Area: 23.47 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.91 | CX Basic pKa: 8.88 | CX LogP: 1.11 | CX LogD: -0.38 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.60 | Np Likeness Score: -0.56 |
References
| 1. Agarwal A, Awasthi SK, Murthy PK. (2011) In vivo antifilarial activity of some cyclic and acylic alcohols, 20 (4): [10.1007/s00044-010-9331-4] |
Source
Source(1):